(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid

C15H23NO4S — CID 104935403

IUPAC(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)O
InChIInChI=1S/C15H23NO4S/c1-6-7-13(15(17)18)16-21(19,20)14-11(4)9(2)8-10(3)12(14)5/h8,13,16H,6-7H2,1-5H3,(H,17,18)/t13-/m1/s1
InChIKeySKWZSVOSRURRIH-CYBMUJFWSA-N
MW313.42 g/mol
LogP2.45
Rot. Bonds6

About (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid

(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid (PubChem CID 104935403) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid
PubChem CID104935403
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)O
InChIInChI=1S/C15H23NO4S/c1-6-7-13(15(17)18)16-21(19,20)14-11(4)9(2)8-10(3)12(14)5/h8,13,16H,6-7H2,1-5H3,(H,17,18)/t13-/m1/s1
InChIKeySKWZSVOSRURRIH-CYBMUJFWSA-N
XLogP2.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
CID 43238329
(2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
CID 1186780
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
CID 43631162
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 79989177
2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
CID 43631259
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid
CID 104935418
2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]pentanoic acid
CID 120968689
(2S)-3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid;hydrate
CID 132776903
2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
(2R)-2-[(5-cyano-2-methylphenyl)sulfonylamino]pentanoic acid
CID 104935465

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid (CID 104935403) is (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid is CCC[C@@H](NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)O.
What is the InChIKey of (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is SKWZSVOSRURRIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-6-7-13(15(17)18)16-21(19,20)14-11(4)9(2)8-10(3)12(14)5/h8,13,16H,6-7H2,1-5H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid?
(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 313.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 104935403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).